4-[3-(phenylmethylsulfanyl)propoxy]benzoic acid

Systemtic Name: 4-[3-(phenylmethylsulfanyl)propoxy]benzoic acid Openeye Name: 4-(3-benzylsulfanylpropoxy)benzoic acid CAS Name: 4-[3-(phenylmethylthio)propoxy]benzoic acid IUPAC Name: 4-(3-benzylsulfanylpropoxy)benzoic acid Traditional Name: 4-[3-(benzylthio)propoxy]benzoic acid Formula: C17H18O3S MolecularWeight: 302.38802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCOC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCCCOC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H18O3S/c18-17(19)15-7-9-16(10-8-15)20-11-4-12-21-13-14-5-2-1-3-6-14/h1-3,5-10H,4,11-13H2,(H,18,19)